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MolNFT v1 · #40283 · protein

2-hydroxychromene-2-carboxylate isomerase: a kappa class glutathione- S-transferase from pseudomonas putida

2IMF: “2-hydroxychromene-2-carboxylate isomerase: a kappa class glutathione- S-transferase from pseudomonas putida”. X-ray diffraction, 3 ligands (GSH, TOM, PO4), 1 pocket (best druggability 0.68). MolNFT v1 #40283 on GenesisL1: 3D…

PDB
2IMF
Type
protein
Length
203 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
2-hydroxychromene-2-carboxylate isomerase
EC
2.5.1.18
UniProt
Q51948
Ligands
GSH, TOM, PO4
Pockets
1 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 61% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A2-hydroxychromene-2-carboxylate isomerase (EC 2.5.1.18)protein20361% helix, 10% strandQ51948

Ligands and binding sites

  • GSH · Glutathione · ligand · chains A
  • TOM · 4-(2-methoxyphenyl)-2-oxobut-3-enoic acid · ligand · chains A
  • PO4 · Phosphate ion · ion · 3 copies · chains A
  • CXS · 3-cyclohexyl-1-propylsulfonic acid · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12940.680.8229GSH, TOM

Compared structures

  • 2IMF · 2-Hydroxychromene-2-carboxylate Isomerase: a Kappa Class Glutathione-S-Transferase from… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q51948 · AlphaFold monomer V2.0 prediction for 2-hydroxychromene-2-carboxylate isomerase (Q51948) · a predicted model of the same protein · chain A against A, TM-score 0.97

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